N,4-dimethyl-1-(2-methylsulfanylphenyl)imidazol-2-amine

C12H15N3S — CID 107647486

IUPACN,4-dimethyl-1-(2-methylsulfanylphenyl)imidazol-2-amine
SMILESCNc1nc(C)cn1-c1ccccc1SC
InChIInChI=1S/C12H15N3S/c1-9-8-15(12(13-2)14-9)10-6-4-5-7-11(10)16-3/h4-8H,1-3H3,(H,13,14)
InChIKeyVCQIJBKNKNZGAT-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.94
Rot. Bonds3

About N,4-dimethyl-1-(2-methylsulfanylphenyl)imidazol-2-amine

N,4-dimethyl-1-(2-methylsulfanylphenyl)imidazol-2-amine (PubChem CID 107647486) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N,4-dimethyl-1-(2-methylsulfanylphenyl)imidazol-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-(2-methylsulfanylphenyl)imidazol-2-amine
PubChem CID107647486
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN,4-dimethyl-1-(2-methylsulfanylphenyl)imidazol-2-amine
SMILESCNc1nc(C)cn1-c1ccccc1SC
InChIInChI=1S/C12H15N3S/c1-9-8-15(12(13-2)14-9)10-6-4-5-7-11(10)16-3/h4-8H,1-3H3,(H,13,14)
InChIKeyVCQIJBKNKNZGAT-UHFFFAOYSA-N
XLogP2.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylphenyl)-N,4-dimethylimidazol-2-amine
CID 106558212
1-(2-bromo-4-fluorophenyl)-N,4-dimethylimidazol-2-amine
CID 106560683
1-(2-methoxy-5-methylphenyl)-N,4-dimethylimidazol-2-amine
CID 106557791
1-(4-chlorophenyl)-N,4-dimethylimidazol-2-amine
CID 106558479
1-[2-chloro-5-(trifluoromethyl)phenyl]-N,4-dimethylimidazol-2-amine
CID 106557943
1-(4-chloro-3-fluorophenyl)-N,4-dimethylimidazol-2-amine
CID 106567668
1-(2-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106558908
1-butyl-4-methyl-N-(2-methylsulfanylphenyl)imidazol-2-amine
CID 107647476
1-(2-chlorophenyl)-4-methyl-N-propylimidazol-2-amine
CID 106558751
N,4-dimethyl-1-(4-methylsulfonylphenyl)imidazol-2-amine
CID 106558108
N,4-dimethyl-1-(1-phenylpropan-2-yl)imidazol-2-amine
CID 106571835
1-(3-chloro-5-fluorophenyl)-N,4-dimethylimidazol-2-amine
CID 107371340

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-(2-methylsulfanylphenyl)imidazol-2-amine?
The IUPAC name of N,4-dimethyl-1-(2-methylsulfanylphenyl)imidazol-2-amine (CID 107647486) is N,4-dimethyl-1-(2-methylsulfanylphenyl)imidazol-2-amine.
What is the SMILES notation for N,4-dimethyl-1-(2-methylsulfanylphenyl)imidazol-2-amine?
The canonical SMILES for N,4-dimethyl-1-(2-methylsulfanylphenyl)imidazol-2-amine is CNc1nc(C)cn1-c1ccccc1SC.
What is the InChIKey of N,4-dimethyl-1-(2-methylsulfanylphenyl)imidazol-2-amine?
The InChIKey is VCQIJBKNKNZGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-9-8-15(12(13-2)14-9)10-6-4-5-7-11(10)16-3/h4-8H,1-3H3,(H,13,14).
What are the key properties of N,4-dimethyl-1-(2-methylsulfanylphenyl)imidazol-2-amine?
N,4-dimethyl-1-(2-methylsulfanylphenyl)imidazol-2-amine has a molecular weight of 233.34 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-(2-methylsulfanylphenyl)imidazol-2-amine is sourced from PubChem (CID 107647486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).